Doping-dependent study of the periodic Anderson model in three dimensions

We study a simple model for $f$-electron systems, the three-dimensional periodic Anderson model, in which localized $f$ states hybridize with neighboring $d$ states. The $f$ states have a strong on-site repulsion which suppresses the double occupancy and can lead to the formation of a Mott-Hubbard insulator. When the hybridization between the $f$ and $d$ states increases, the effects of these strong electron correlations gradually diminish, giving rise to interesting phenomena on the way. We use the exact quantum Monte-Carlo, approximate diagrammatic fluctuation-exchange approximation, and mean-field Hartree-Fock methods to calculate the local moment, entropy, antiferromagnetic structure factor, singlet-correlator, and internal energy as a function of the $f-d$ hybridization for various dopings. Finally, we discuss the relevance of this work to the volume-collapse phenomenon experimentally observed in f-electron systems.Comment: 12 pages, 8 figure

Screened-interaction expansion for the Hubbard model and determination of the quantum Monte Carlo Fermi surface

We develop a systematic self-consistent perturbative expansion for the self energy of Hubbard-like models. The interaction lines in the Feynman diagrams are dynamically screened by the charge fluctuations in the system. Although the formal expansion is exact-assuming that the model under the study is perturbative-only if diagrams to all orders are included, it is shown that for large-on-site-Coulomb-repulsion-U systems weak-coupling expansions to a few orders may already converge. We show that the screened interaction for the large-U system can be vanishingly small at a certain intermediate electron filling; and it is found that our approximation for the imaginary part of the one-particle self energy agrees well with the QMC results in the low energy scales at this particular filling. But, the usefulness of the approximation is hindered by the fact that it has the incorrect filling dependence when the filling deviates from this value. We also calculate the exact QMC Fermi surfaces for the two-dimensional (2-D) Hubbard model for several fillings. Our results near half filling show extreme violation of the concepts of the band theory; in fact, instead of growing, Fermi surface vanishes when doped toward the half-filled Mott-Hubbard insulator. Sufficiently away from half filling, noninteracting-like Fermi surfaces are recovered. These results combined with the Luttinger theorem might show that diagrammatic expansions for the nearly-half-filled Hubbard model are unlikely to be possible; however, the nonperturbative part of the solution seems to be less important as the filling gradually moves away from one half. Results for the 2-D one-band Hubbard model for several hole dopings are presented. Implications of this study for the high-temperature superconductors are also discussed.Comment: 11 pages, 12 eps figures embedded, REVTeX, submitted to Phys. Rev. B; (v2) minor revisions, scheduled for publication on November 1

Understanding High-Temperature Superconductors with Quantum Cluster Theories

Quantum cluster theories are a set of approaches for the theory of correlated and disordered lattice systems, which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a mean-field approximation. These methods become exact when the cluster size diverges, and most recover the corresponding (dynamical) mean-field approximation when the cluster size becomes one. Here we will review systematic dynamical cluster simulations of the two-dimensional Hubbard model, that display phenomena remarkably similar to those found in the cuprates, including antiferromagnetism, superconductivity and pseudogap behavior. We will then discuss results for the structure of the pairing mechanism in this model, obtained from a combination of dynamical cluster results and diagrammatic techniques.Comment: 8 pages, 12 figures; submitted to proceedings of M2S-HTSC VIII, Dresden 200

Slave-Boson Three-Band Model with O-O Hopping for High-Tc Superconductors

Slave boson mean-field approximation is carried out analytically for weakly doped CuO_2 conduction planes, characterized by Cu-O charge transfer energy \Delta_{pd}, Cu-O hopping t_0, O-O hopping t' and repulsion U_d between holes on Cu site taken as infinite. At zero doping \delta, finite negative t',|t'|<t_0/2, expands the range of stability of the covalent, conducting state on the expense of the insulating state which, however, remains stable at larger \Delta_{pd}. For sufficiently large \Delta_{pd} the renormalized charge transfer energy saturates at 4|t'| instead of decreasing to zero, as at t'=0 case. In contrast to t', finite \delta suppresses the insulating state nearly symmetrically with respect to the sign of \delta. The regime with charge transfer energy renormalized close to 4|t'| fits remarkably well the ARPES spectra of Bi2212 and LSCO, and, in the latter case, explains the observed strong doping dependence of the Cu-O hopping.Comment: 4 pages, 2 figure

About the role of 2D screening in High Temperature Superconductivity

The 2D screening is investigated in a simple single band square tight-binding model which qualitatively resembles the known electronic structure in high temperature superconductors. The Coulomb kernel for the two particle Bethe-Salpeter equation in the single loop (RPA) approximation for the polarization can be evaluated in a strong tight binding limit. The results indicate an intense screening of the Coulomb repulsion between the particles, which becomes stronger and anisotropic when the Fermi level approach half filling (or equivalently, when the Fermi surface approach the Van Hove singularities) and rapidly decreases away it. The effect is also more pronounced for quasi-momenta regions near the corners of the Brillouin cell, which correspond to dual spatial distances of the order few unit cells. Therefore, a possible mechanism is identified which could explain the existence of extremely small Cooper pairs in these materials, as bounded anisotropic composites joined by residual super-exchange or phonon interactions.Comment: 16 pages, 4 figures, presented in the " Conference on Strongly Interacting Systems at the Nanoscale", ICTP, Trieste, Italy (8-12 August 2005

A planar extrapolation of the correlation problem that permits pairing

It was observed previously that an SU(N) extension of the Hubbard model is dominated, at large N, by planar diagrams in the sense of 't Hooft, but the possibility of superconducting pairing got lost in this extrapolation. To allow for this possibility, we replace SU(N) by U(N,q), the unitary group in a vector space of quaternions. At the level of the free energy, the difference between the SU(N)and U(N,q) extrapolations appears only to first nonleading order in N.Comment: 8 pages, 2 figure

Screened-interaction expansion for the Hubbard model and determination of the quantum Monte Carlo Fermi surface

We develop a systematic self-consistent perturbative expansion for the self-energy of Hubbard-like models. The interaction lines in the Feynman diagrams are dynamically screened by the charge fluctuations in the system. Although the formal expansion is exact-assuming that the model under the study is perturbativeonly if diagrams to all orders are included, it is shown that for large-on-site-Coulomb-repulsion-U systems weak-coupling expansions to a few orders may already converge. In order to test the approximation at intermediate-to-high temperatures, we use the exact charge-fluctuation susceptibility from quantum Monte Carlo ͑QMC͒ simulation studies as input, which determines the exact screened interaction, and compare our results for the self-energy to the QMC results. We also make comparisons with fluctuation-exchange approximation. We show that the screened interaction for the large-U system can be vanishingly small at a certain intermediate electron filling, and it is found that our approximation for the imaginary part of the one-particle self-energy agrees well with the QMC results in the low-energy scales at this particular filling. But the usefulness of the approximation is hindered by the fact that it has the incorrect filling dependence when the filling deviates from this value. We also calculate the exact QMC Fermi surfaces for the two-dimensional ͑2D͒ Hubbard model for several fillings. Our results near half filling show extreme violation of the concepts of the band theory; in fact, instead of growing, the Fermi surface vanishes when doped toward the half-filled MottHubbard insulator. Sufficiently away from half filling, noninteractinglike Fermi surfaces are recovered. These results combined with the Luttinger theorem might show that diagrammatic expansions for the nearly-halffilled Hubbard model are unlikely to be possible; however, the nonperturbative part of the solution seems to be less important as the filling gradually moves away from one half. Results for the 2D one-band Hubbard model for several hole dopings are presented. Implications of this study for the high-temperature superconductors are also discussed

A crib-shaped triplet pairing gap function for an orthogonal pair of quasi-one dimensional Fermi surfaces in Sr2_2RuO4_4

The competition between spin-triplet and singlet pairings is studied theoretically for the tight-binding $\alpha$-$\beta$ bands in Sr$_2$RuO$_4$, which arise from two sets of quasi-one dimensional Fermi surfaces. Using multiband FLEX approximation, where we incorporate an anisotropy in the spin fluctuations as suggested from experiments, we show that (i) the triplet can dominate over the singlet (which turns out to be extended s), and (ii) the triplet gap function optimized in the Eliashberg equation has an unusual, very non-sinusoidal form, whose time-reversal-broken combination exhibits a crib-shaped amplitude with dips.Comment: 5 pages, RevTeX, to appear in Phys.Rev.B (Rapid Communications

Fluctuation Exchange Analysis of Superconductivity in the Standard Three-Band CuO2 Model

The fluctuation exchange, or FLEX, approximation for interacting electrons is applied to study instabilities in the standard three-band model for CuO2 layers in the high-temperature superconductors. Both intra-orbital and near-neigbor Coulomb interactions are retained. The filling dependence of the d(x2-y2) transition temperature is studied in both the "hole-doped" and "electron-doped" regimes using parameters derived from constrained-occupancy density-functional theory for La2CuO4. The agreement with experiment on the overdoped hole side of the phase diagram is remarkably good, i.e., transitions emerge in the 40 K range with no free parameters. In addition the importance of the "orbital antiferromagnetic," or flux phase, charge density channel is emphasized for an understanding of the underdoped regime.Comment: REVTex and PostScript, 31 pages, 26 figures; to appear in Phys. Rev. B (1998); only revised EPS figures 3, 4, 6a, 6b, 6c, 7 and 8 to correct disappearance of some labels due to technical problem

Theory of Spin Fluctuation-Induced Superconductivity Based on a d-p Model. II. -Superconducting State-

The superconducting state of a two-dimensional d-p model is studied from the spin fluctuation point of view by using a strong coupling theory. The fluctuation exchange (FLEX) approximatoin is employed to calculate the spin fluctuations and the superconducting gap functions self-consistently in the optimal- and over-doped regions of hole concentration. The gap function has a symmetry of d_{x^2 - y^2} type and develops below the transition temperature T_c more rapidly than in the BCS model. Its saturation value at the maximum is about 10 T_c. When the spin fluctuation-induced superconductivity is well stabilized at low temperatures in the optimal regime, the imaginary part of the antiferromagnetic spin susceptibility shows a very sharp resonance peak reminiscent of the 41 meV peak observed in the neutron scattering experiment on YBCO. The one-particle spectral density around k=(pi,0) shows sharp quasi-particle peaks followed by dip and hump structures bearing resemblance to the features observed in the angle-resolved photoemission experiment. With increasing doping concentration these features gradually disappear.Comment: 13 pages(LaTeX), 20 eps figure